SCHEMBL31663354

SCHEMBL31663354

CN1CC2(CCN(c3ccc4ncc(NCc5ccc6cc[nH]c6c5)nc4n3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 1/20 0.39
ABL1 P00519 1/20 0.38
NMT1 P30419 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
F2 P00734 1/20 0.33
HRH4 Q9H3N8 7/20 0.33
DYRK1A Q13627 2/20 0.32
PTPN11 Q06124 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31663044 0.90 MET (0.39) METCCNT1CDK9PARP1PARP2
SCHEMBL31663126 0.90 MET (0.53) METCCNT1CDK9PARP1PARP2
SCHEMBL31663059 0.90 MET (0.40) METCCNT1CDK9PARP1PARP2
SCHEMBL31663157 0.89 MET (0.38) METCCNT1CDK9PARP1PARP2
SCHEMBL31663359 0.89 MET (0.38) METCCNT1CDK9PARP1PARP2
SCHEMBL31663291 0.89 MET (0.40) METCCNT1CDK9PARP1PARP2
SCHEMBL31663133 0.88 MET (0.39) METCCNT1CDK9PARP1PARP2
SCHEMBL31663287 0.87 MET (0.43) METCCNT1CDK9PARP1PARP2
SCHEMBL31662995 0.87 MET (0.43) METCCNT1CDK9PARP1PARP2
SCHEMBL31663268 0.87 MET (0.37) METCCNT1CDK9PARP1PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO claimed
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed